orbital_charges     :real:2:4,3
  0.183053459978817E+001  0.133222657296510E+001  0.111451267836333E+001
  0.199821374889710E+001  0.847286367155313E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.877226032830986E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.167336604286804E-002  0.162015049148581E+000 -0.584061025244540E-002
 -0.198022508095817E-002 -0.779416866169877E-001 -0.243608287067738E-001
  0.306859038090127E-003 -0.840733625315931E-001  0.302014389592192E-001
mermin_energy       :real:0:
 -0.399099899658535E+001
end_coords          :real:2:3,3
 -0.248985092459941E-002 -0.186006990615784E+001  0.939184479220512E-003
  0.848111396293177E-001 -0.287521948246949E+000  0.141819945320600E+001
 -0.452649954796783E-001 -0.183503725921231E+000 -0.143311646065869E+001
